2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

C21H22BrN3O2 — CID 43910298

IUPAC2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccccc2-n2ccnc2C)c(Br)c1
InChIInChI=1S/C21H22BrN3O2/c1-3-16-8-9-20(18(22)12-16)27-14-21(26)24-13-17-6-4-5-7-19(17)25-11-10-23-15(25)2/h4-12H,3,13-14H2,1-2H3,(H,24,26)
InChIKeyQKIVSLHPGXGBQH-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.20
Rot. Bonds7

About 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide

2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 43910298) has the molecular formula C21H22BrN3O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID43910298
Molecular FormulaC21H22BrN3O2
Molecular Weight428.33 g/mol
Exact Mass427.09
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
SMILESCCc1ccc(OCC(=O)NCc2ccccc2-n2ccnc2C)c(Br)c1
InChIInChI=1S/C21H22BrN3O2/c1-3-16-8-9-20(18(22)12-16)27-14-21(26)24-13-17-6-4-5-7-19(17)25-11-10-23-15(25)2/h4-12H,3,13-14H2,1-2H3,(H,24,26)
InChIKeyQKIVSLHPGXGBQH-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100595725
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
2-(2-bromo-4-ethylphenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30393490
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 4629735
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyridin-3-ylpropanamide
CID 48735080
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
3,5-dichloro-4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 51126235
2-(2-butan-2-ylphenoxy)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 60565665
2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide (CID 43910298) is 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is CCc1ccc(OCC(=O)NCc2ccccc2-n2ccnc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is QKIVSLHPGXGBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN3O2/c1-3-16-8-9-20(18(22)12-16)27-14-21(26)24-13-17-6-4-5-7-19(17)25-11-10-23-15(25)2/h4-12H,3,13-14H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide?
2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 428.33 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 43910298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).